4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole

C12H13NOS — CID 78998169

IUPAC4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole
SMILESCc1ccc(OCc2nc(C)cs2)cc1
InChIInChI=1S/C12H13NOS/c1-9-3-5-11(6-4-9)14-7-12-13-10(2)8-15-12/h3-6,8H,7H2,1-2H3
InChIKeyWLAAKLSPZONCID-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.34
Rot. Bonds3

About 4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole

4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole (PubChem CID 78998169) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole
PubChem CID78998169
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole
SMILESCc1ccc(OCc2nc(C)cs2)cc1
InChIInChI=1S/C12H13NOS/c1-9-3-5-11(6-4-9)14-7-12-13-10(2)8-15-12/h3-6,8H,7H2,1-2H3
InChIKeyWLAAKLSPZONCID-UHFFFAOYSA-N
XLogP3.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]aniline
CID 39205098
[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride
CID 127501309
2-[(4-methylphenoxy)methyl]-4-pyridin-4-yl-1,3-thiazole
CID 166360122
(NZ)-N-[1-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 115495508
4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-propylbenzamide
CID 121094272
[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 121094251
N-butan-2-yl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094276
N-cyclohexyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094282
N-benzyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094285
N-ethoxy-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 18169105
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 27872001
2-[[3-bromo-4-(trifluoromethoxy)phenoxy]methyl]-4-methyl-1,3-thiazole
CID 102714697

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole (CID 78998169) is 4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole is Cc1ccc(OCc2nc(C)cs2)cc1.
What is the InChIKey of 4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole?
The InChIKey is WLAAKLSPZONCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-9-3-5-11(6-4-9)14-7-12-13-10(2)8-15-12/h3-6,8H,7H2,1-2H3.
What are the key properties of 4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole?
4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole has a molecular weight of 219.31 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 78998169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).